Ojha R P, Roychoudhury M, Sanyal N K
Department of Physics, University of Gorakhpur.
Indian J Biochem Biophys. 1990 Aug;27(4):228-39.
Mode of action of some intercalators has been theoretically investigated on the basis of quantum mechanical perturbation method. Energies of H-bond interaction between drug chromophore and base pairs have been calculated in all possible orientations. The stacking energy has also been calculated with the base pairs. The effect of these interactions on specific recognition has also been discussed. On the basis of these studies, a model for the interaction of these drugs has been proposed. This explains the relative activities of acridine intercalators and satisfies the experimental observations.
已基于量子力学微扰法对一些嵌入剂的作用模式进行了理论研究。已计算出药物发色团与碱基对之间在所有可能取向下的氢键相互作用能。还计算了与碱基对的堆积能。还讨论了这些相互作用对特异性识别的影响。基于这些研究，提出了这些药物相互作用的模型。这解释了吖啶嵌入剂的相对活性并符合实验观察结果。
